3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine

C21H17N3O4 — CID 155560094

IUPAC3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)cc1OC
InChIInChI=1S/C21H17N3O4/c1-25-17-6-3-13(9-19(17)26-2)15-5-8-21-22-11-16(24(21)23-15)14-4-7-18-20(10-14)28-12-27-18/h3-11H,12H2,1-2H3
InChIKeySQWBVUOAAYZHSS-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.81
Rot. Bonds4

About 3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine

3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine (PubChem CID 155560094) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
PubChem CID155560094
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)cc1OC
InChIInChI=1S/C21H17N3O4/c1-25-17-6-3-13(9-19(17)26-2)15-5-8-21-22-11-16(24(21)23-15)14-4-7-18-20(10-14)28-12-27-18/h3-11H,12H2,1-2H3
InChIKeySQWBVUOAAYZHSS-UHFFFAOYSA-N
XLogP3.81
TPSA67.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine (CID 155560094) is 3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine is COc1ccc(-c2ccc3ncc(-c4ccc5c(c4)OCO5)n3n2)cc1OC.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is SQWBVUOAAYZHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-25-17-6-3-13(9-19(17)26-2)15-5-8-21-22-11-16(24(21)23-15)14-4-7-18-20(10-14)28-12-27-18/h3-11H,12H2,1-2H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine?
3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 375.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 155560094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).